ethyl (E)-2-cyano-3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-methyl-3-(1-piperidylsulfonyl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(4-methyl-3-piperidin-1-ylsulfonylanilino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methyl-3-piperidinosulfonyl-anilino)acrylic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCC2)/C#N

InChI

InChI=1S/C18H23N3O4S/c1-3-25-18(22)15(12-19)13-20-16-8-7-14(2)17(11-16)26(23,24)21-9-5-4-6-10-21/h7-8,11,13,20H,3-6,9-10H2,1-2H3/b15-13+